3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid

Base Information

• Chemical Name: 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid
• CAS No.: 21322-94-1
• Molecular Formula: C10H11FO4S
• Molecular Weight: 246.2553
• NSC Number: 211801
• DSSTox Substance ID: DTXSID90309332
• Wikidata: Q82057699
• Mol file: 21322-94-1.mol

Synonyms:21322-94-1;3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid;NSC211801;DTXSID90309332;NSC 211801;NSC-211801;EN300-726936;3-(FLUOROSULFONYL)-4-(1-METHYLETHYL)-BENZOIC ACID;3-(FLUOROSULFONYL)-4-(1-METHYLETHYL)-BENZOICACID

Chemical Property of 3-(Fluorosulfonyl)-4-(propan-2-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 3.5E-06mmHg at 25°C
• Boiling Point: 371.7°Cat760mmHg
• Flash Point: 178.6°C
• Density: 1.347g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 246.03620816
• Heavy Atom Count: 16
• Complexity: 358

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)F

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